2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C15H19N5O3 — CID 47068725

IUPAC2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1
InChIInChI=1S/C15H19N5O3/c1-10-3-4-12(23-2)11(7-10)18-15(22)8-17-14-5-6-20(19-14)9-13(16)21/h3-7H,8-9H2,1-2H3,(H2,16,21)(H,17,19)(H,18,22)
InChIKeyUBXZQFXOVDAGGM-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.74
Rot. Bonds7

About 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 47068725) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID47068725
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1
InChIInChI=1S/C15H19N5O3/c1-10-3-4-12(23-2)11(7-10)18-15(22)8-17-14-5-6-20(19-14)9-13(16)21/h3-7H,8-9H2,1-2H3,(H2,16,21)(H,17,19)(H,18,22)
InChIKeyUBXZQFXOVDAGGM-UHFFFAOYSA-N
XLogP0.74
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2559642
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8239952
N-(2-methoxy-5-methylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026217
3-Anilino-1-[3-(cyanomethyl)-1-[(2-methoxy-5-methylphenyl)carbamoyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 89473568
N-(2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 16024388
1-(2-Cyclohexylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2103175
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 9328322
N-(2-methoxy-5-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17417269
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156015
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 47068726
N-(2-Methoxy-5-methylphenyl)-2-{[4-(methylamino)pyrimidin-2-YL]amino}acetamide
CID 50976033

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 47068725) is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNc1ccn(CC(N)=O)n1.
What is the InChIKey of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is UBXZQFXOVDAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-3-4-12(23-2)11(7-10)18-15(22)8-17-14-5-6-20(19-14)9-13(16)21/h3-7H,8-9H2,1-2H3,(H2,16,21)(H,17,19)(H,18,22).
What are the key properties of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 47068725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).